CID 95630

Ethyl 2-ethoxy-2-hydroxyacetate

Structural Information

Molecular Formula
C6H12O4
SMILES
CCOC(C(=O)OCC)O
InChI
InChI=1S/C6H12O4/c1-3-9-5(7)6(8)10-4-2/h5,7H,3-4H2,1-2H3
InChIKey
PGALUWKYZXVZMU-UHFFFAOYSA-N
Compound name
ethyl 2-ethoxy-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

148.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 130.4
[M+Na]+ 171.062778 137.0
[M-H]- 147.066284 129.4
[M+NH4]+ 166.107383 151.0
[M+K]+ 187.036718 138.1
[M+H-H2O]+ 131.070820 125.8
[M+HCOO]- 193.071761 151.9
[M+CH3COO]- 207.087411 172.6
[M+Na-2H]- 169.048226 134.5
[M]+ 148.07301142 133.5
[M]- 148.07410858 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.